[(1S)-1-[(1S,2R)-2-[(1R)-2-[(4aR,6S,8aR)-6-[(2R,4S,5S,6R)-5-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4R,5S,6S)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-8a-methyl-4a-oxidanyl-2-oxidanylidene-5,6,7,8-tetrahydro-1H-naphthalen-1-yl]-1-(phenylcarbonyloxy)ethyl]-2-methyl-1-oxidanyl-3-oxidanylidene-cyclopentyl]ethyl] benzoate

Systemtic Name: [(1S)-1-[(1S,2R)-2-[(1R)-2-[(4aR,6S,8aR)-6-[(2R,4S,5S,6R)-5-[(2S,4S,5R,6R)-4-methoxy-5-[(2S,4R,5S,6S)-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-6-methyl-oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-8a-methyl-4a-oxidanyl-2-oxidanylidene-5,6,7,8-tetrahydro-1H-naphthalen-1-yl]-1-(phenylcarbonyloxy)ethyl]-2-methyl-1-oxidanyl-3-oxidanylidene-cyclopentyl]ethyl] benzoate Openeye Name: [(1S)-1-[(1S,2R)-2-[(1R)-2-[(4aR,6S,8aR)-4a-hydroxy-6-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5R,6R)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-8a-methyl-2-oxo-5,6,7,8-tetrahydro-1H-naphthalen-1-yl]-1-benzoyloxy-ethyl]-1-hydroxy-2-methyl-3-oxo-cyclopentyl]ethyl] benzoate CAS Name: benzoic acid [(1S)-1-[(1S,2R)-2-[(1R)-2-[(4aR,6S,8aR)-4a-hydroxy-6-[[(2R,4S,5S,6R)-4-hydroxy-5-[[(2S,4S,5R,6R)-5-[[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyl-2-oxanyl]oxy]-4-methoxy-6-methyl-2-oxanyl]oxy]-6-methyl-2-oxanyl]oxy]-8a-methyl-2-oxo-5,6,7,8-tetrahydro-1H-naphthalen-1-yl]-1-benzoyloxyethyl]-1-hydroxy-2-methyl-3-oxocyclopentyl]ethyl] ester IUPAC Name: [(1S)-1-[(1S,2R)-2-[(1R)-2-[(4aR,6S,8aR)-4a-hydroxy-6-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5R,6R)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-8a-methyl-2-oxo-5,6,7,8-tetrahydro-1H-naphthalen-1-yl]-1-benzoyloxyethyl]-1-hydroxy-2-methyl-3-oxocyclopentyl]ethyl] benzoate Traditional Name: benzoic acid [(1S)-1-[(1S,2R)-2-[(1R)-2-[(4aR,6S,8aR)-4a-hydroxy-6-[(2R,4S,5S,6R)-4-hydroxy-5-[(2S,4S,5R,6R)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-2-yl]oxy-2-keto-8a-methyl-5,6,7,8-tetrahydro-1H-naphthalen-1-yl]-1-benzoyloxy-ethyl]-1-hydroxy-3-keto-2-methyl-cyclopentyl]ethyl] ester Formula: C55H74O18 MolecularWeight: 1023.16526

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3O)OC4CCC5(C(C(=O)C=CC5(C4)O)CC(C6(C(=O)CCC6(C(C)OC(=O)C7=CC=CC=C7)O)C)OC(=O)C8=CC=CC=C8)C)C)C)OC)O

Isomeric SMILES

C[C@H]1[C@@H]([C@@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2OC)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@@]5(C(C(=O)C=C[C@@]5(C4)O)C[C@H]([C@]6(C(=O)CC[C@]6([C@H](C)OC(=O)C7=CC=CC=C7)O)C)OC(=O)C8=CC=CC=C8)C)C)C)OC)O

InChI

InChI=1S/C55H74O18/c1-30-47(59)40(64-7)27-45(66-30)73-49-32(3)68-46(28-41(49)65-8)72-48-31(2)67-44(26-39(48)57)70-36-19-22-52(5)37(38(56)20-23-54(52,62)29-36)25-43(71-51(61)35-17-13-10-14-18-35)53(6)42(58)21-24-55(53,63)33(4)69-50(60)34-15-11-9-12-16-34/h9-18,20,23,30-33,36-37,39-41,43-49,57,59,62-63H,19,21-22,24-29H2,1-8H3/t30-,31+,32+,33-,36-,37?,39-,40+,41-,43+,44-,45-,46-,47-,48+,49+,52+,53+,54-,55+/m0/s1